4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid

C88H98F12N6O11S3 — CID 162010935

About 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid

4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 162010935) has the molecular formula C88H98F12N6O11S3 and a molecular weight of 1739.96 g/mol. Its IUPAC name is 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid
• PubChem CID: 162010935
• Molecular Formula: C88H98F12N6O11S3
• Molecular Weight: 1739.96 g/mol
• Exact Mass: 1738.63
• IUPAC Name: 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid
• SMILES: CCCNCCc1cc(NC(=O)c2ccc(S(=O)(=O)CC(C)(C)C)c(C)c2)ccc1-c1ccccc1C(F)(F)F.CCCNCCc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)ccc1-c1ccccc1C(F)(F)F.CCCc1cc(NC(=O)c2ccc(S(=O)(=O)CC(C)(C)C)c(C)c2)ccc1-c1ccccc1C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C31H37F3N2O3S.C29H32F3NO3S.C26H28F3N3O3S.C2HF3O2/c1-6-16-35-17-15-22-19-24(12-13-25(22)26-9-7-8-10-27(26)31(32,33)34)36-29(37)23-11-14-28(21(2)18-23)40(38,39)20-30(3,4)5;1-6-9-20-17-22(13-14-23(20)24-10-7-8-11-25(24)29(30,31)32)33-27(34)21-12-15-26(19(2)16-21)37(35,36)18-28(3,4)5;1-3-13-31-14-12-18-16-20(9-10-21(18)22-6-4-5-7-23(22)26(27,28)29)32-25(33)19-8-11-24(17(2)15-19)36(30,34)35;3-2(4,5)1(6)7/h7-14,18-19,35H,6,15-17,20H2,1-5H3,(H,36,37);7-8,10-17H,6,9,18H2,1-5H3,(H,33,34);4-11,15-16,31H,3,12-14H2,1-2H3,(H,32,33)(H2,30,34,35);(H,6,7)
• InChIKey: FIRHHMXJZOTLFE-UHFFFAOYSA-N
• XLogP: 20.76
• TPSA: 277.10 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1739.96
LogP ≤ 5	20.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid (CID 162010935) is 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid is CCCNCCc1cc(NC(=O)c2ccc(S(=O)(=O)CC(C)(C)C)c(C)c2)ccc1-c1ccccc1C(F)(F)F.CCCNCCc1cc(NC(=O)c2ccc(S(N)(=O)=O)c(C)c2)ccc1-c1ccccc1C(F)(F)F.CCCc1cc(NC(=O)c2ccc(S(=O)(=O)CC(C)(C)C)c(C)c2)ccc1-c1ccccc1C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid?

The InChIKey is FIRHHMXJZOTLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37F3N2O3S.C29H32F3NO3S.C26H28F3N3O3S.C2HF3O2/c1-6-16-35-17-15-22-19-24(12-13-25(22)26-9-7-8-10-27(26)31(32,33)34)36-29(37)23-11-14-28(21(2)18-23)40(38,39)20-30(3,4)5;1-6-9-20-17-22(13-14-23(20)24-10-7-8-11-25(24)29(30,31)32)33-27(34)21-12-15-26(19(2)16-21)37(35,36)18-28(3,4)5;1-3-13-31-14-12-18-16-20(9-10-21(18)22-6-4-5-7-23(22)26(27,28)29)32-25(33)19-8-11-24(17(2)15-19)36(30,34)35;3-2(4,5)1(6)7/h7-14,18-19,35H,6,15-17,20H2,1-5H3,(H,36,37);7-8,10-17H,6,9,18H2,1-5H3,(H,33,34);4-11,15-16,31H,3,12-14H2,1-2H3,(H,32,33)(H2,30,34,35);(H,6,7).

What are the key properties of 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid?

4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 1739.96 g/mol, XLogP of 20.76, 26 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;4-(2,2-dimethylpropylsulfonyl)-3-methyl-N-[3-propyl-4-[2-(trifluoromethyl)phenyl]phenyl]benzamide;3-methyl-N-[3-[2-(propylamino)ethyl]-4-[2-(trifluoromethyl)phenyl]phenyl]-4-sulfamoylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162010935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).